| SpectraBase Compound ID | Bc1Ste9bOnx |
|---|---|
| InChI | InChI=1S/C40H58O2/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40(42)38(8,9)28-16-29-39(40,10)41/h11-14,17-22,24-26,30,41-42H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | KMNYPCCYKRMTMK-WWSVUWEKSA-N |
| Mol Weight | 570.9 g/mol |
| Molecular Formula | C40H58O2 |
| Exact Mass | 570.443681 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BIQUgLoyzlJ |
|---|---|
| Name | .beta.,.beta.-Carotene, 5,6-dihydro-5,6-dihydroxy- |
| Alternate Name(s) | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2-diol 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2-diol |
| CAS Registry Number | 75442-63-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H58O2 |
| InChI | InChI=1S/C40H58O2/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40(42)38(8,9)28-16-29-39(40,10)41/h11-14,17-22,24-26,30,41-42H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | KMNYPCCYKRMTMK-WWSVUWEKSA-N |
| Molecular Weight | 570.902 g/mol |
| SMILES | OC1(C(CCCC1(C)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C/(C)\C=C\C=C/(C)\C=C\C1=C(C)CCCC1(C)C)C)C |
| SPLASH | splash10-0aou-9500020000-d74eed52060f690a0094 |
| Source of Spectrum | W5-37593-27943-27943 |
| Wiley ID | 1407767 |